Regensburg 2019 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 32: Charged Soft Matter, Polyelectrolytes and Ionic Liquids I
CPP 32.12: Talk
Wednesday, April 3, 2019, 12:30–12:45, H13
Molecular Dynamics Simulations of Lithium Ion Transport in Block-Copolymer Electrolytes — Len Kimms1, Andreas Heuer1,2, and •Diddo Diddens2 — 1Institut für physikalische Chemie, Westfälische Wilhelms-Universität Münster, Corrensstraße 28/30, 48149 Münster — 2Helmholtz-Institut Münster (IEK-12), Forschungszentrum Jülich GmbH, Corrensstraße 46, 48149 Münster
Solid polymer electrolytes (SPEs) consist of a salt dissolved in an amorphous polymer melt, which typically exhibit improved safety as compared to liquid electrolytes. While the archetypal SPE is based on poly(ethylene oxide) (PEO), the use of mechanically more rigid polymers becomes necessary for lithium metal batteries that are considered to be a key technology for electric vehicles. Although a mechanically rigid polymer suppresses the growth of lithium dendrites (which in turn pose safety issues), this comes at the expense of a dramatic slowdown of the segmental mobility, and consequently also of the lithium ion dynamics. As a remedy, block copolymers that combine mechanically stable domains with ionically conducting PEO domains have been employed. In this contribution, we employ Molecular Dynamics simulations to unravel the microscopic ion transport within the conductive domains of the polymer host, and compare the results to simulations of classical PEO-based SPEs [1-3].
[1] D. Diddens, A. Heuer, ACS Macro Lett., 2013, 2(4), 322-326
[2] D. Diddens, A. Heuer, J. Phys. Chem. B, 2014, 118(4), 1113-1125
[3] D. Diddens, E. Paillard, A. Heuer, J. Electrochem. Soc., 2017, 164(11), E3225-E3231